4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine

C15H19ClN4 — CID 80833431

IUPAC4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2cccc(Cl)c2)c1CC
InChIInChI=1S/C15H19ClN4/c1-3-13-14(17-4-2)19-10-20-15(13)18-9-11-6-5-7-12(16)8-11/h5-8,10H,3-4,9H2,1-2H3,(H2,17,18,19,20)
InChIKeyIAERZHVAVMAXBJ-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.74
Rot. Bonds6

About 4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine

4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine (PubChem CID 80833431) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
PubChem CID80833431
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2cccc(Cl)c2)c1CC
InChIInChI=1S/C15H19ClN4/c1-3-13-14(17-4-2)19-10-20-15(13)18-9-11-6-5-7-12(16)8-11/h5-8,10H,3-4,9H2,1-2H3,(H2,17,18,19,20)
InChIKeyIAERZHVAVMAXBJ-UHFFFAOYSA-N
XLogP3.74
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791987
4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80985283
6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 63729574
5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine
CID 66341926
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794434
N-[(3-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704963
4-N-[(4-chlorophenyl)methyl]-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80750556
N-[(3-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63729624
N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 78901321
6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 80876248
4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80765162
4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide
CID 66763665

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine (CID 80833431) is 4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine is CCNc1ncnc(NCc2cccc(Cl)c2)c1CC.
What is the InChIKey of 4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine?
The InChIKey is IAERZHVAVMAXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-3-13-14(17-4-2)19-10-20-15(13)18-9-11-6-5-7-12(16)8-11/h5-8,10H,3-4,9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine?
4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine has a molecular weight of 290.80 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80833431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).